Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione

Al-Wabli, Reem I. and El-Emam, Ali A. and Alroqi, Obaid S. and C. S., Chidan Kumar and Fun, Hoong Kun (2015) Crystal structure of 3-(adamantan-1-yl)- 4-(4-chlorophenyl)-1H-1,2,4-triazole- 5(4H)-thione. Acta Crystallographica Section E: Crystallographic Communications, 71. 0115-0116. ISSN 2056-9890

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The title compound, C18H20ClN3S, is a functionalized triazoline- 3-thione derivative. The benzene ring is almost perpendicular to the planar 1,2,4-triazole ring [maximum deviation = 0.007 (1) A ° ] with a dihedral angle of 89.61 (5)� between them and there is an adamantane substituent at the 3-position of the triazolethione ring. In the crystal, N—H� � �S hydrogenbonding interactions link the molecules into chains extending along the c-axis direction. The crystal packing is further stabilized by weak C—H� � �� interactions that link adjacent chains into a two-dimensional structure in the bc plane. The crystal studied was an inversion twin with a 0.50 (3):0.50 (3) domain ratio.

Item Type: Article
Subjects: Q Science > QC Physics > QC1-999 Physics
Divisions: Pusat Pengajian Sains Fizik (School of Physics) > Article
Depositing User: Mr Noorazilan Noordin
Date Deposited: 26 Jan 2018 08:11
Last Modified: 26 Jan 2018 08:11

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